[HTML version][PDF version][Article Abstract][CIF][3d view][Structure Factors][Supplementary Material][Issue contents]  [Open access]

[Contents scheme]

Acta Cryst. (2011). E67, o1611  [ doi:10.1107/S160053681102126X ]

(E)-2-Methyl-6-[(1-phenyl-1H-pyrazol-4-yl)methylidene]cyclohexanone

A. M. Asiri, H. M. Faidallah and S. W. Ng

Online 11 June 2011


Key indicators

checkCIF/PLATON results

No syntax errors found




Alert level B PLAT220_ALERT_2_B Large Non-Solvent C Ueq(max)/Ueq(min) ... 6.38 Ratio
Alert level C PLAT222_ALERT_3_C Large Non-Solvent H Uiso(max)/Uiso(min) .. 6.52 Ratio PLAT234_ALERT_4_C Large Hirshfeld Difference C2 -- C3' .. 0.16 Ang. PLAT241_ALERT_2_C Check High Ueq as Compared to Neighbors for C2 PLAT911_ALERT_3_C Missing # FCF Refl Between THmin & STh/L= 0.596 11
Alert level G PLAT002_ALERT_2_G Number of Distance or Angle Restraints on AtSite 18 PLAT003_ALERT_2_G Number of Uiso or Uij Restrained Atom Sites .... 4 PLAT154_ALERT_1_G The su's on the Cell Angles are Equal (x 10000) 200 Deg. PLAT242_ALERT_2_G Check Low Ueq as Compared to Neighbors for C3 PLAT242_ALERT_2_G Check Low Ueq as Compared to Neighbors for C3' PLAT301_ALERT_3_G Note: Main Residue Disorder ................... 15 Perc. PLAT720_ALERT_4_G Number of Unusual/Non-Standard Labels .......... 7 PLAT811_ALERT_5_G No ADDSYM Analysis: Too Many Excluded Atoms .... ! PLAT860_ALERT_3_G Note: Number of Least-Squares Restraints ....... 47 PLAT909_ALERT_3_G Percentage of Observed Data at Theta(Max) still 36 Perc.
0 ALERT level A = Most likely a serious problem - resolve or explain 1 ALERT level B = A potentially serious problem, consider carefully 4 ALERT level C = Check. Ensure it is not caused by an omission or oversight 10 ALERT level G = General information/check it is not something unexpected 1 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 6 ALERT type 2 Indicator that the structure model may be wrong or deficient 5 ALERT type 3 Indicator that the structure quality may be low 2 ALERT type 4 Improvement, methodology, query or suggestion 1 ALERT type 5 Informative message, check

Copyright © International Union of Crystallography
IUCr Webmaster